⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL11501656 | 0.86 | — | — | |
| SCHEMBL4436401 | 0.75 | TRPA1 (0.38) | — | |
| Hydrogen Peroxide SCHEMBL65467 | 0.75 | TRPA1 (0.41) | — | |
| Hydrogen Peroxide SCHEMBL21332901 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL11501858 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL148841 | 0.73 | TRPA1 (0.37) | — | |
| SCHEMBL75111 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL7979 | 0.71 | TRPA1 (0.39) | — | |
| SCHEMBL452781 | 0.71 | TRPA1 (0.39) | — | |
| SCHEMBL1760669 | 0.71 | TRPA1 (0.39) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4161556-A | Protective coating for glass substrate | OWENS-ILLINOIS, INC. (US) | 1979-07-17 | — | — | US | disclosed |